4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol

C17H23N3O — CID 65118041

IUPAC4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-13-6-8-17(21,9-7-13)12-18-10-14-11-19-15-4-2-3-5-16(15)20-14/h2-5,11,13,18,21H,6-10,12H2,1H3
InChIKeyIDTYDRMEZTUXJF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 65118041) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID65118041
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-13-6-8-17(21,9-7-13)12-18-10-14-11-19-15-4-2-3-5-16(15)20-14/h2-5,11,13,18,21H,6-10,12H2,1H3
InChIKeyIDTYDRMEZTUXJF-UHFFFAOYSA-N
XLogP2.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 65118041) is 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNCc2cnc3ccccc3n2)CC1.
What is the InChIKey of 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is IDTYDRMEZTUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-6-8-17(21,9-7-13)12-18-10-14-11-19-15-4-2-3-5-16(15)20-14/h2-5,11,13,18,21H,6-10,12H2,1H3.
What are the key properties of 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).